[(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine

C17H16FN3 — CID 105193028

IUPAC[(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine
SMILESCc1ccc2cc(C(NN)c3cccc(F)c3)ccc2n1
InChIInChI=1S/C17H16FN3/c1-11-5-6-12-9-14(7-8-16(12)20-11)17(21-19)13-3-2-4-15(18)10-13/h2-10,17,21H,19H2,1H3
InChIKeyVSFBFUDRNHIJKR-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.24
Rot. Bonds3

About [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine

[(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine (PubChem CID 105193028) has the molecular formula C17H16FN3 and a molecular weight of 281.33 g/mol. Its IUPAC name is [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine
PubChem CID105193028
Molecular FormulaC17H16FN3
Molecular Weight281.33 g/mol
Exact Mass281.13
IUPAC Name[(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine
SMILESCc1ccc2cc(C(NN)c3cccc(F)c3)ccc2n1
InChIInChI=1S/C17H16FN3/c1-11-5-6-12-9-14(7-8-16(12)20-11)17(21-19)13-3-2-4-15(18)10-13/h2-10,17,21H,19H2,1H3
InChIKeyVSFBFUDRNHIJKR-UHFFFAOYSA-N
XLogP3.24
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine?
The IUPAC name of [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine (CID 105193028) is [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine.
What is the SMILES notation for [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine?
The canonical SMILES for [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine is Cc1ccc2cc(C(NN)c3cccc(F)c3)ccc2n1.
What is the InChIKey of [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine?
The InChIKey is VSFBFUDRNHIJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3/c1-11-5-6-12-9-14(7-8-16(12)20-11)17(21-19)13-3-2-4-15(18)10-13/h2-10,17,21H,19H2,1H3.
What are the key properties of [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine?
[(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine has a molecular weight of 281.33 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluorophenyl)-(2-methylquinolin-6-yl)methyl]hydrazine is sourced from PubChem (CID 105193028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).